Geometry & MOs

Info

ID:	405365
PubChem CID:	135073690
Reduced:	OSiC20H28 (1)
Stoich.:	ABC20D28 (1)
Weight, g/mol:	429.251523
ΔH_f, kcal/mol:	13.15
Dipole, Da:	2.99
IP(EA), eV:	-9.13(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl 2-[(Z)-4-hydroxybut-2-enyl]-2-[(1-methylindol-2-yl)methyl]propanedioate

Drug info:

PubChemData

Smile

CCCCC1=C(C1C(C)(C#CC2=CC=CC=C2)O)[Si](C)(C)C

DOS

IR

Vibrations